N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide

C10H20BrNO3S — CID 106157492

IUPACN-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
SMILESCC(CBr)CCCNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C10H20BrNO3S/c1-8(7-11)5-4-6-12-10(13)9(2)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyRMZVEOAIOLPZAV-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.35
Rot. Bonds7

About N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide

N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide (PubChem CID 106157492) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
PubChem CID106157492
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC NameN-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
SMILESCC(CBr)CCCNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C10H20BrNO3S/c1-8(7-11)5-4-6-12-10(13)9(2)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyRMZVEOAIOLPZAV-UHFFFAOYSA-N
XLogP1.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
N-(5-hydroxypentyl)-2-methylsulfonylpropanamide
CID 107318586
N-(5-bromo-4-methylpentyl)methanesulfonamide
CID 106158701
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
N-(3-chloro-4-methoxybutyl)-2-methylsulfonylpropanamide
CID 106243933
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
N-(5-bromo-4-methylpentyl)hexanamide
CID 106157334
N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide
CID 104522528
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 104522440
N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide
CID 104521813

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide (CID 106157492) is N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide is CC(CBr)CCCNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide?
The InChIKey is RMZVEOAIOLPZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-8(7-11)5-4-6-12-10(13)9(2)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide?
N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide has a molecular weight of 314.25 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 106157492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).